N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine

C19H25NO4 — CID 119126875

IUPACN-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4/c1-13(20-12-14-6-8-16(21-2)9-7-14)15-10-17(22-3)19(24-5)18(11-15)23-4/h6-11,13,20H,12H2,1-5H3
InChIKeyXEOPAEYEOJLFIN-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.57
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine

N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 119126875) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID119126875
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H25NO4/c1-13(20-12-14-6-8-16(21-2)9-7-14)15-10-17(22-3)19(24-5)18(11-15)23-4/h6-11,13,20H,12H2,1-5H3
InChIKeyXEOPAEYEOJLFIN-UHFFFAOYSA-N
XLogP3.57
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 119126875) is N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1ccc(CNC(C)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is XEOPAEYEOJLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13(20-12-14-6-8-16(21-2)9-7-14)15-10-17(22-3)19(24-5)18(11-15)23-4/h6-11,13,20H,12H2,1-5H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 331.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 119126875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).